0 B5R0.1 CCCC(=O)O B18853 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 CCC[C@H](C)O P4807 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.1 COC[C@@H](C)O M5850 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 COC[C@H](C)O M5856 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.1 C\C(I)=C\CI D16723 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 CC(=O)NO A3293 [1,0,0,0,0,0|3,0,0]=4 6 B4R0.1 CCC(=N)N P12993 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.1 CC[C@@H](C)O B4806 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.1 CC[C@H](C)O B4805 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 C[C@@H](Cl)CO C4812 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 C[C@@H](N)CN D1041 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 C[C@@H](N)CN D7317 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 C[C@@H](N)CO A1425 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 C[C@@H](O)CCl C4810 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 C[C@@H](O)CCl C4810 [1,0,0,0,0,0|3,0,0]=4 15 B4R0.1 C[C@@H](O)CN A6198 [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 C[C@@H](O)CN A6198 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 C[C@@H](O)CO P2644 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 C[C@@H](O)CO P2644 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 C[C@H](Cl)CO C4811 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 C[C@H](N)CO A5008 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 C[C@H](N)CO A5008 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 C[C@H](O)CCl C4809 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.1 C[C@H](O)CCl C4809 [1,0,0,0,0,0|3,0,0]=4 24 B4R0.1 C[C@H](O)CN A5854 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 C[C@H](O)CO P6701 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 C\C(N)=N\O H13104 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.2 BrCCCBr D18864 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.2 NCCCCl C18780 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.2 NCCCO A18882 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.2 NNCCO H13045 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.1 CCCC(N)CO A18883 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.1 N\C(CCO)=N/O D13760 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.1 OCC[C@@H](O)CO B7203 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.2 C(C(=O)O)N(C)C D18801 [0,1,0,0,0,0|0,0,1]=2 35 B6R0.2 CC(C)=CC(=O)O D18784 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.2 CC(C)CC(=N)N M13844 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 CC(C)[C@@H](N)CO A5893 [0,1,0,0,0,0|1,0,0]=2 38 B6R0.3 CC(C)[C@H](N)CO V2118 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.3 CC(C)[C@H](N)CO V2118 [0,1,0,0,0,0|1,0,0]=2 40 B6R0.3 CC(C)\C(N)=N\O H12994 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 CN(C)\C(N)=N/O A12817 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.3 N[C@H](CO)C(=O)O S5985 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.4 CN(C)CCCN D2364 [0,1,0,0,0,0|1,0,0]=2 44 B6R0.4 COCCC(=N)N M13848 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.4 O=C([O-])CNCO S17161 [0,1,0,0,0,0|3,0,0]=4 46 B6R1.2 CC1CCNC1 M17094 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.2 C[C@@H]1CCCN1 M7218 [0,0,0,1,0,0|3,0,0]=4 48 B6R1.2 C[C@H]1CCCN1 M3036 [0,0,0,1,0,0|3,0,0]=4 49 B6R1.2 F[C@H]1CCNC1 F12344 [0,0,0,1,0,0|3,0,0]=4 50 B6R1.2 N[C@@H]1CCNC1 A13883 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.2 N[C@@H]1CCNC1 P6035 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.2 N[C@H]1CCNC1 A6036 [0,0,0,1,0,0|3,0,0]=4 53 B6R1.2 N[C@H]1CCOC1 A19174 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.2 O=C1CCSC1 T11319 [0,0,0,1,0,0|2,1,0]=4 55 B6R1.2 O[C@@H]1CCNC1 P4795 [0,0,0,1,0,0|3,0,0]=4 56 B6R1.2 O[C@@H]1CCNC1 P4796 [0,0,0,1,0,0|3,0,0]=4 57 B6R1.2 O[C@@H]1CCOC1 H7200 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.2 O[C@H]1CCNC1 H6043 [0,0,0,1,0,0|3,0,0]=4 59 B6R1.2 O[C@H]1CCNC1 H6043 [0,0,0,1,0,0|3,0,0]=4 60 B6R1.2 O[C@H]1CCNC1 P6678 [0,0,0,1,0,0|3,0,0]=4 61 B6R1.2 O[C@H]1CCOC1 H2612 [0,0,0,1,0,0|2,0,0]=3 62 B6R1.3 NCCC1CC1 C14004 [0,0,0,1,0,0|2,0,0]=3 63 B6R1.3 NOCC1CC1 C2245 [0,0,0,1,0,0|3,0,0]=4 64 B6R1.10 CC1(C)COC1 D12729 [0,0,0,1,0,0|3,0,0]=4 65 B6R1.11 CC(=O)C1CC1 C0960 [0,0,0,1,0,0|3,0,0]=4 66 B3R0.1 C#CCN P12530 [2,0,0,0,0,0|1,0,1]=4 67 B3R0.1 C#CCN P12531 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.3 CC(CN)CO A15437 [1,1,0,0,0,0|1,0,0]=3 69 B5R0.3 NC[C@@H](O)CO A4797 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.3 NC[C@H](O)CO P6783 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.3 NC[C@H](O)CO P6783 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.3 OC[C@@H](O)CCl C4763 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.3 OC[C@@H](O)CCl C4763 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.3 OC[C@H](O)CCl C4762 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.3 OC[C@H](O)CCl C4762 [1,1,0,0,0,0|2,0,0]=4 76 B5R0.4 C[Si](C)(C)CCl C16837 [1,1,0,0,0,0|2,0,0]=4 77 B5R0.5 CC(=O)C(C)O A1243 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.5 CN(C)C(=N)N D13765 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.2 CNCCCN M14932 [1,1,0,0,0,0|1,0,0]=3 80 B5R0.2 N#CCCNN C12725 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.2 NCCCCO A18122 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.2 OCCCCBr B18469 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.2 CC(C)C[C@H](N)CO L2031 [0,2,0,0,0,0|1,0,0]=3 84 B7R0.2 CC[C@H](C)CC(=O)O M13871 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.2 CN(C)C\C(N)=N/O D13680 [0,2,0,0,0,0|0,0,1]=3 86 B7R0.7 CN(CCCl)CCCl M19067 [0,2,0,0,0,0|1,0,0]=3 87 B7R0.10 OCC(Br)C(Br)CO D1412 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.10 OC[C@H](O)[C@H](O)CO E19244 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.9 CC(C)(C)CC(=O)O B0283 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.9 CC(C)(N)CC(=O)O A17650 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.16 CC(C)[C@@H](Br)C(=O)O B8237 [0,2,0,0,0,0|1,0,1]=4 92 B7R0.16 CC(C)[C@@H](N)C(=O)O V6098 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.16 CC(C)[C@H](Br)C(=O)O B8238 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.16 CC(C)[C@H](O)C(=O)O H12825 [0,2,0,0,0,0|1,0,1]=4 95 B7R0.14 CC(C)(C)C(O)CN A14344 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.15 COC(OC)N(C)C D0403 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.6 CN(C)CCC(=N)N D13681 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.6 C[C@H](O)CC[C@H](C)O H5146 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.8 CC(C)(C)SCCN B7817 [0,2,0,0,0,0|2,0,0]=4 100 B5R1.2 ClC1CCC1 C18781 [1,0,0,1,0,0|2,0,0]=4 101 B5R1.2 NC1CCC1 A18148 [1,0,0,1,0,0|2,0,0]=4 102 B5R1.2 O=C1CCC1 C17719 [1,0,0,1,0,0|2,0,0]=4 103 B5R1.2 O=C1COC1 O19064 [1,0,0,1,0,0|2,0,0]=4 104 B5R1.3 BrCC1CC1 C1292 [1,0,0,1,0,0|2,0,0]=4 105 B5R1.3 NCC1CC1 C2241 [1,0,0,1,0,0|2,0,0]=4 106 B5R1.3 NCC1CC1 C2241 [1,0,0,1,0,0|2,0,0]=4 107 B5R1.3 OC[C@@H]1CO1 G4757 [1,0,0,1,0,0|2,0,0]=4 108 B5R1.3 OC[C@H]1CO1 G4756 [1,0,0,1,0,0|2,0,0]=4 109 B5R1.3 OC[C@H]1CO1 G4756 [1,0,0,1,0,0|2,0,0]=4 110 B5R1.4 CC1OC1C E1498 [1,0,0,1,0,0|2,0,0]=4 111 B5R1.1 C1=CCNC1 P12964 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.1 BrCC1CCCC1 B18461 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.1 NCC1CCNC1 P13897 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.2 CN1CCC(O)C1 P6737 [0,1,0,1,0,0|0,0,0]=2 115 B7R1.2 CN1CC[C@H](O)C1 M19385 [0,1,0,1,0,0|0,0,0]=2 116 B7R1.2 O=C1C[C@@H](O)CO1 H7194 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.2 O=C1C[C@H](O)CN1 H2610 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.2 O=C1C[C@H](O)CO1 H2611 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.2 OC1CCC(O)C1 C18885 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.3 CC1CCCCN1 M6451 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.3 CC1CCCNC1 P3032 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.3 CC1CCNCC1 M11273 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.3 CN1CCCCC1 M3042 [0,1,0,1,0,0|1,0,0]=3 125 B7R1.3 CN1CCNCC1 M12431 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.3 CN1CCOCC1 C2066 [0,1,0,1,0,0|0,0,0]=2 127 B7R1.3 C[C@@H]1CNCCN1 R6055 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.3 C[C@H]1CCCCN1 M3041 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.3 NC1CCOCC1 A16695 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.3 NC1CCOCC1 T11516 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.3 NN1CCCCC1 A3686 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.3 O=C1CCOCC1 T11055 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.4 CC1OCCC1=O M5424 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.4 CC1OCCC1S T12619 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.4 CN1CCN=C1S M3268 [0,1,0,1,0,0|1,0,1]=4 136 B7R1.4 N[C@H]1COC[C@@H]1O A15394 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.20 O=C(O)CC1CC1 C2235 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.23 CC1(C)CC1C#N D2246 [0,1,0,1,0,0|2,0,0]=4